gtask_force.cpp File Reference

#include <omp.h>
#include "gint_force_gpu.h"
#include "source_base/ylm.h"
#include "source_lcao/module_gint/gint_tools.h"
#include "source_base/vector3.h"

Include dependency graph for gtask_force.cpp:

Namespaces
namespace	GintKernel

Functions
void	GintKernel::gtask_force (const Grid_Technique &gridt, const UnitCell &ucell, const int grid_index_ij, const int nczp, const double vfactor, const double *vlocal_global_value, int &atoms_per_z, int *atoms_num_info, int *iat_on_nbz, uint8_t *atoms_type, double *dr_part, double *vldr3)
void	GintKernel::alloc_mult_force (const hamilt::HContainer< double > *dm, const Grid_Technique &gridt, const UnitCell &ucell, const int grid_index_ij, const int max_atom, const int *atoms_num_info, double *const psi_g, double *const psi_dm_g, double *const dm_matrix_g, int &max_m, int &max_n, int &atom_pair_num, int *mat_m, int *mat_n, int *mat_k, int *mat_lda, int *mat_ldb, int *mat_ldc, double **mat_A, double **mat_B, double **mat_C)